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- From: "张�s" <zhangting1980323@gmail.com>
- To: forum@abinit.org
- Subject: Question about running bug in PAW method
- Date: Thu, 31 Aug 2006 16:05:49 +0800
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Dear ABINIT users:
I'm trying the PAW method to calculate a simple single point energy task, but the code got interrupted by a bug:
-----------------------------------------------------------------------------------------------------------
mkeuler: BUG -
error in rot !
Action : contact ABINIT group.
error in rot !
Action : contact ABINIT group.
Delivered 2 WARNINGs and 1 COMMENTs to log file.
leave_new : decision taken to exit ...
-----------------------------------------------------------------------------------------------------------
What happened? The examples in Tutorials run quite ok by abinis, but my job fails. In the attachment are the input file, the .files file, and the log.Thanks!
Attachment:
ecut.rar
Description: Binary data
- {SPAM?} Question about running bug in PAW method, 张�s, 08/31/2006
- Question about running bug in PAW method, 张�s, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, Anglade Pierre-Matthieu, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, 张�s, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, Anglade Pierre-Matthieu, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, 张�s, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, Anglade Pierre-Matthieu, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, 张�s, 08/31/2006
- Re: [abinit-forum] Question about running bug in PAW method, Anglade Pierre-Matthieu, 08/31/2006
- Re: [abinit-forum] {SPAM?} Question about running bug in PAW method, 张�s, 08/31/2006
- Question about running bug in PAW method, 张�s, 08/31/2006
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